3-[2-(4-prop-2-enoxyphenyl)propyl]phenol

C18H20O2 — CID 57048613

IUPAC3-[2-(4-prop-2-enoxyphenyl)propyl]phenol
SMILESC=CCOc1ccc(C(C)Cc2cccc(O)c2)cc1
InChIInChI=1S/C18H20O2/c1-3-11-20-18-9-7-16(8-10-18)14(2)12-15-5-4-6-17(19)13-15/h3-10,13-14,19H,1,11-12H2,2H3
InChIKeyPXTWJKIMWZBRNV-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.30
Rot. Bonds6

About 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol

3-[2-(4-prop-2-enoxyphenyl)propyl]phenol (PubChem CID 57048613) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol.

Molecular Properties

Compound Name3-[2-(4-prop-2-enoxyphenyl)propyl]phenol
PubChem CID57048613
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-[2-(4-prop-2-enoxyphenyl)propyl]phenol
SMILESC=CCOc1ccc(C(C)Cc2cccc(O)c2)cc1
InChIInChI=1S/C18H20O2/c1-3-11-20-18-9-7-16(8-10-18)14(2)12-15-5-4-6-17(19)13-15/h3-10,13-14,19H,1,11-12H2,2H3
InChIKeyPXTWJKIMWZBRNV-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
phenol;4-prop-2-enoxyphenol
CID 70303777
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
3-(2-sulfanylpropyl)phenol
CID 115013475
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
3-[(4-ethylphenoxy)methyl]phenol
CID 70330427
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
CID 54782181
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol?
The IUPAC name of 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol (CID 57048613) is 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol.
What is the SMILES notation for 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol?
The canonical SMILES for 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol is C=CCOc1ccc(C(C)Cc2cccc(O)c2)cc1.
What is the InChIKey of 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol?
The InChIKey is PXTWJKIMWZBRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-11-20-18-9-7-16(8-10-18)14(2)12-15-5-4-6-17(19)13-15/h3-10,13-14,19H,1,11-12H2,2H3.
What are the key properties of 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol?
3-[2-(4-prop-2-enoxyphenyl)propyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-prop-2-enoxyphenyl)propyl]phenol is sourced from PubChem (CID 57048613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).